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Home > Bromides > 1004017-87-1
1004017-87-1 | 2-Propanone, 1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-
CAS No: 1004017-87-1 Catalog No: AG0001X7 MDL No:MFCD03885074
Product Description
Catalog Number:
AG0001X7
Chemical Name:
2-Propanone, 1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-
CAS Number:
1004017-87-1
Molecular Formula:
C8H11BrN2O
Molecular Weight:
231.0897
MDL Number:
MFCD03885074
IUPAC Name:
1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-one
InChI:
InChI=1S/C8H11BrN2O/c1-5(12)4-11-7(3)8(9)6(2)10-11/h4H2,1-3H3
InChI Key:
DJBKJULCIPAZCS-UHFFFAOYSA-N
SMILES:
CC(=O)Cn1nc(c(c1C)Br)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.005g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.093g/mol
Monoisotopic Mass:
230.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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